Information card for entry 4037626

Structure parameters

• Formula: C24 H18 N2 O3
• Calculated formula: C24 H18 N2 O3
• SMILES: O=C1c2ccccc2CN1c1ccccc1C1CC(=O)N(C1=O)c1ccccc1
• Title of publication: C-H Bond Alkylation of Cyclic Amides with Maleimides via a Site-Selective-Determining Six-Membered Ruthenacycle.
• Authors of publication: Yuan, Yu-Chao; Goujon, Marion; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 12.8305 ± 0.0012 Å
• b: 9.6 ± 0.0009 Å
• c: 17.8131 ± 0.0016 Å
• α: 90°
• β: 119.99 ± 0.003°
• γ: 90°
• Cell volume: 1900.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No